1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-(homoveratrylamino)-2-keto-ethyl]pyrazole-4-carboxylic acid Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CN2C=C(C=N2)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CN2C=C(C=N2)C(=O)O)OC

InChI

InChI=1S/C16H19N3O5/c1-23-13-4-3-11(7-14(13)24-2)5-6-17-15(20)10-19-9-12(8-18-19)16(21)22/h3-4,7-9H,5-6,10H2,1-2H3,(H,17,20)(H,21,22)